[(E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-enyl] acetate
| Internal ID | 4e4cf94b-bdbd-45c0-9f50-227db5e884a1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | [(E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-enyl] acetate |
| SMILES (Canonical) | CC(=CCCC(=CCOC1=CC=C(C=C1)C=CCOC(=O)C)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/COC1=CC=C(C=C1)/C=C/COC(=O)C)/C)C |
| InChI | InChI=1S/C21H28O3/c1-17(2)7-5-8-18(3)14-16-24-21-12-10-20(11-13-21)9-6-15-23-19(4)22/h6-7,9-14H,5,8,15-16H2,1-4H3/b9-6+,18-14+ |
| InChI Key | BNNYBSQTXXCEER-RZZDJWKDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O3 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of [(E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e-3-4-2e-37-dimethylocta-26-dienoxyphenylprop-2-enyl-acetate.jpg "2D Structure of [(E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-enyl] acetate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 99.14% | 92.51% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.05% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.96% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.50% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.04% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.45% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.33% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.30% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.80% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.90% | 94.62% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.88% | 96.12% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.64% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.39% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.33% | 94.45% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Millettia usaramensis |
| PubChem | 101938913 |
| LOTUS | LTS0145319 |
| wikiData | Q104938929 |